REMARK Name = BDB024814 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.873 -4.051 0.700 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -2.362 -2.735 0.699 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -3.734 -2.445 0.214 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -4.793 -2.940 1.216 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.021 -0.960 -0.065 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -2.815 -0.285 -0.682 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -1.683 -0.407 0.296 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -0.772 0.644 0.521 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.740 1.899 -0.036 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.326 2.497 0.456 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.993 1.655 1.321 0.00 0.00 -0.319 N ATOM 12 C LIG 1 0.283 0.477 1.410 0.00 0.00 +0.070 A ATOM 13 C LIG 1 0.468 -0.700 2.137 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -0.427 -1.748 1.888 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -1.482 -1.632 0.970 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -0.725 -4.394 0.965 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -2.367 -6.314 0.288 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -2.817 -4.960 0.311 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 2.280 1.913 1.942 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 3.410 1.572 0.989 0.00 0.00 +0.233 C ATOM 21 N LIG 1 3.630 0.224 0.827 0.00 0.00 -0.310 N ATOM 22 H LIG 1 2.977 -0.426 1.242 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 4.067 2.439 0.422 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 4.434 -0.309 -0.251 0.00 0.00 +0.142 C BRANCH 24 25 ATOM 25 C LIG 1 3.557 -1.219 -1.033 0.00 0.00 +0.007 A ATOM 26 C LIG 1 2.947 -2.390 -0.621 0.00 0.00 +0.113 A ATOM 27 N LIG 1 2.195 -2.824 -1.673 0.00 0.00 -0.274 N ATOM 28 C LIG 1 1.323 -3.974 -1.699 0.00 0.00 +0.172 C ATOM 29 N LIG 1 2.315 -2.051 -2.768 0.00 0.00 -0.180 NA ATOM 30 C LIG 1 3.126 -1.067 -2.372 0.00 0.00 +0.139 A ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 0.789 3.877 0.110 0.00 0.00 +0.097 C BRANCH 31 32 ATOM 32 C LIG 1 -0.245 4.632 -0.718 0.00 0.00 +0.151 C BRANCH 32 33 ATOM 33 N LIG 1 0.226 5.958 -1.072 0.00 0.00 -0.271 N ATOM 34 N LIG 1 0.297 6.919 -0.130 0.00 0.00 -0.180 NA ATOM 35 C LIG 1 0.766 7.978 -0.795 0.00 0.00 +0.134 A ATOM 36 C LIG 1 0.998 7.698 -2.154 0.00 0.00 +0.041 A ATOM 37 C LIG 1 0.639 6.379 -2.304 0.00 0.00 +0.108 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 8